(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one

C14H14N2O — CID 104891227

IUPAC(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one
SMILESN[C@@H](C(=O)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C14H14N2O/c15-14(12-4-2-1-3-5-12)13(17)10-11-6-8-16-9-7-11/h1-9,14H,10,15H2/t14-/m1/s1
InChIKeyLQHHJHLNPGRPQU-CQSZACIVSA-N
MW226.28 g/mol
LogP1.89
Rot. Bonds4

About (1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one

(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one (PubChem CID 104891227) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one
PubChem CID104891227
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one
SMILESN[C@@H](C(=O)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C14H14N2O/c15-14(12-4-2-1-3-5-12)13(17)10-11-6-8-16-9-7-11/h1-9,14H,10,15H2/t14-/m1/s1
InChIKeyLQHHJHLNPGRPQU-CQSZACIVSA-N
XLogP1.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-amino-3-(4-hydroxyphenyl)-1-phenylpropan-2-one
CID 104891138
4-amino-3-phenyl-1-pyridin-4-ylbutan-2-one
CID 116567147
(1R)-1-amino-3-(3,5-difluorophenyl)-1-phenylpropan-2-one
CID 105412057
1-amino-3-(3-hydroxyphenyl)-1-phenylpropan-2-one
CID 116551129
1-amino-3-(furan-3-yl)-1-phenylpropan-2-one
CID 116551301
1,1-difluoro-3-pyridin-4-ylpropan-2-one
CID 112699124
methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 62109189
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
4-amino-3-methyl-1-pyridin-4-ylbutan-2-one
CID 116564669
2-amino-2-pyridin-4-ylacetic acid;hydrochloride
CID 42614333
1-phenylpropyl 2-pyridin-4-ylacetate
CID 11780100

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one?
The IUPAC name of (1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one (CID 104891227) is (1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for (1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for (1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one is N[C@@H](C(=O)Cc1ccncc1)c1ccccc1.
What is the InChIKey of (1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one?
The InChIKey is LQHHJHLNPGRPQU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14N2O/c15-14(12-4-2-1-3-5-12)13(17)10-11-6-8-16-9-7-11/h1-9,14H,10,15H2/t14-/m1/s1.
What are the key properties of (1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one?
(1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one has a molecular weight of 226.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-1-phenyl-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 104891227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).